pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	Datawarrior	1	0	[NH3+]CCC(=O)c1ccccc1	NCCC(=O)c1ccccc1	mol14248	NCCC(=O)c1ccccc1
8.3000002	OCHEM	1	0	[NH3+]CCC(=O)c1ccccc1	NCCC(=O)c1ccccc1	mol14248	NCCC(=O)c1ccccc1
5.69999980926514	QSARToolbox	1	0	[NH3+]CCC(=O)c1ccccc1	NCCC(=O)c1ccccc1	mol14248	NCCC(=O)c1ccccc1